(Z)-2-cyano-3-(4-nitrophenyl)-N-(2-piperidin-1-ium-1-ylethyl)prop-2-enamide

Systemtic Name: (Z)-2-cyano-3-(4-nitrophenyl)-N-(2-piperidin-1-ium-1-ylethyl)prop-2-enamide Openeye Name: (Z)-2-cyano-3-(4-nitrophenyl)-N-(2-piperidin-1-ium-1-ylethyl)prop-2-enamide CAS Name: (Z)-2-cyano-3-(4-nitrophenyl)-N-[2-(1-piperidin-1-iumyl)ethyl]-2-propenamide IUPAC Name: (Z)-2-cyano-3-(4-nitrophenyl)-N-(2-piperidin-1-ium-1-ylethyl)prop-2-enamide Traditional Name: (Z)-2-cyano-3-(4-nitrophenyl)-N-(2-piperidin-1-ium-1-ylethyl)acrylamide Formula: C17H21N4O3+ MolecularWeight: 329.37364

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCNC(=O)C(=CC2=CC=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

C1CC[NH+](CC1)CCNC(=O)/C(=C\C2=CC=C(C=C2)[N+](=O)[O-])/C#N

InChI

InChI=1S/C17H20N4O3/c18-13-15(12-14-4-6-16(7-5-14)21(23)24)17(22)19-8-11-20-9-2-1-3-10-20/h4-7,12H,1-3,8-11H2,(H,19,22)/p+1/b15-12-